CID 505743

Schembl6611762

Structural Information

Molecular Formula
C15H16N6OS
SMILES
CCNC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)NN=C3)SC
InChI
InChI=1S/C15H16N6OS/c1-3-16-14(22)11-8-17-15(23-2)20-13(11)19-10-4-5-12-9(6-10)7-18-21-12/h4-8H,3H2,1-2H3,(H,16,22)(H,18,21)(H,17,19,20)
InChIKey
WZQKTPQZFCABRE-UHFFFAOYSA-N
Compound name
N-ethyl-4-(1H-indazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

328.11063 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11791 172.8
[M+Na]+ 351.09985 182.6
[M-H]- 327.10335 175.2
[M+NH4]+ 346.14445 184.0
[M+K]+ 367.07379 175.6
[M+H-H2O]+ 311.10789 163.9
[M+HCOO]- 373.10883 188.7
[M+CH3COO]- 387.12448 182.8
[M+Na-2H]- 349.08530 177.1
[M]+ 328.11008 175.8
[M]- 328.11118 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.